CID 45090631

3-fluoro-6-methyl-2-nitropyridine

Structural Information

Molecular Formula
C6H5FN2O2
SMILES
CC1=NC(=C(C=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C6H5FN2O2/c1-4-2-3-5(7)6(8-4)9(10)11/h2-3H,1H3
InChIKey
GJGUXNSOQFTBGB-UHFFFAOYSA-N
Compound name
3-fluoro-6-methyl-2-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.03351 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04079 124.2
[M+Na]+ 179.02273 137.9
[M+NH4]+ 174.06733 132.1
[M+K]+ 194.99667 134.9
[M-H]- 155.02623 125.9
[M+Na-2H]- 177.00818 131.1
[M]+ 156.03296 126.4
[M]- 156.03406 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.